3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide

C9H14N2OS2 — CID 103417381

IUPAC3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
SMILESCCSc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-4-13-7-5-6(10)8(14-7)9(12)11(2)3/h5H,4,10H2,1-3H3
InChIKeyXGFBYYHJKYZGHQ-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.14
Rot. Bonds3

About 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide

3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103417381) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
PubChem CID103417381
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide
SMILESCCSc1cc(N)c(C(=O)N(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-4-13-7-5-6(10)8(14-7)9(12)11(2)3/h5H,4,10H2,1-3H3
InChIKeyXGFBYYHJKYZGHQ-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
3-amino-5-[(4-ethylphenyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
CID 106901131
3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507392
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
3-amino-N,N-dimethyl-5-(2-piperidin-1-ylethylamino)thiophene-2-carboxamide
CID 103508614
3-amino-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526087
3-amino-N,N-dimethylthiophene-2-carboxamide
CID 61092296
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
CID 106840059
3-amino-N,N-dimethyl-5-[2-(1,2,4-oxadiazol-3-yl)ethylamino]thiophene-2-carboxamide
CID 106413075
3-amino-5-[[2-(dimethylamino)-2-methylpropyl]amino]-N-ethylthiophene-2-carboxamide
CID 103508810

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide (CID 103417381) is 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide is CCSc1cc(N)c(C(=O)N(C)C)s1.
What is the InChIKey of 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is XGFBYYHJKYZGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-4-13-7-5-6(10)8(14-7)9(12)11(2)3/h5H,4,10H2,1-3H3.
What are the key properties of 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 230.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylsulfanyl-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103417381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).